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Chemical ID: 5928857
Chemical ID:
5928857
Name [?]:
2,4-dimethyl-8-(2-pyridyl)-N-(1,1,3,3-tetramethylbutyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
Cc1cc(n2c(c1)nc(c2NC(C)(C)CC(C)(C)C)c3ccccn3)C
InChi [?]:
InChI=1/C22H30N4/c1-15-12-16(2)26-18(13-15)24-19(17-10-8-9-11-23-17)20(26)25-22(6,7)14-21(3,4)5/h8-13,25H,14H2,1-7H3
InChi Info:
AuxInfo=1/0/N:1,26,17,18,19,13,14,22,23,21,24,3,7,15,2,4,20,6,9,10,16,12,25,8,11,5/E:(3,4,5)(6,7)/rA:26nCCCCNCCNCCNCCCCCCCCCCCCCNC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;s12;s12;s12;s15;s16;s16;s16;s9;s20;d21;s22;d23;d20s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H30N4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.84 |
Area: | 502.867 |
Solvation: | -1.73166 |
Coulombic: | -30.5906 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 350.501 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.85 |
LogP (Chemaxon): | 4.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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